3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide

C35H48N22O9 — CID 59385850

IUPAC3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide
SMILESNC(=O)C(N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(NC(=O)C(O)NC(=O)c1cc2ccccc2cc1N)c1ccccc1
InChIInChI=1S/C35H48N22O9/c36-16-11-14-9-5-4-8-13(14)10-15(16)24(59)57-31(66)30(65)47-17(12-6-2-1-3-7-12)25(60)49-21(54-33(41)42)27(62)51-23(56-35(45)46)29(64)52-22(55-34(43)44)28(63)50-20(53-32(39)40)26(61)48-18(37)19(38)58/h1-11,17-18,20-23,31,66H,36-37H2,(H2,38,58)(H,47,65)(H,48,61)(H,49,60)(H,50,63)(H,51,62)(H,52,64)(H,57,59)(H4,39,40,53)(H4,41,42,54)(H4,43,44,55)(H4,45,46,56)
InChIKeyLEHFXRFILOGHAV-UHFFFAOYSA-N
MW920.91 g/mol
LogP-9.92
Rot. Bonds20

About 3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide

3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide (PubChem CID 59385850) has the molecular formula C35H48N22O9 and a molecular weight of 920.91 g/mol. Its IUPAC name is 3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide
PubChem CID59385850
Molecular FormulaC35H48N22O9
Molecular Weight920.91 g/mol
Exact Mass920.40
IUPAC Name3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide
SMILESNC(=O)C(N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(NC(=O)C(O)NC(=O)c1cc2ccccc2cc1N)c1ccccc1
InChIInChI=1S/C35H48N22O9/c36-16-11-14-9-5-4-8-13(14)10-15(16)24(59)57-31(66)30(65)47-17(12-6-2-1-3-7-12)25(60)49-21(54-33(41)42)27(62)51-23(56-35(45)46)29(64)52-22(55-34(43)44)28(63)50-20(53-32(39)40)26(61)48-18(37)19(38)58/h1-11,17-18,20-23,31,66H,36-37H2,(H2,38,58)(H,47,65)(H,48,61)(H,49,60)(H,50,63)(H,51,62)(H,52,64)(H,57,59)(H4,39,40,53)(H4,41,42,54)(H4,43,44,55)(H4,45,46,56)
InChIKeyLEHFXRFILOGHAV-UHFFFAOYSA-N
XLogP-9.92
TPSA576.66 Ų
H-Bond Donors19
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500920.91
LogP ≤ 5-9.92
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide (CID 59385850) is 3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide is NC(=O)C(N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(N=C(N)N)NC(=O)C(NC(=O)C(O)NC(=O)c1cc2ccccc2cc1N)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide?
The InChIKey is LEHFXRFILOGHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N22O9/c36-16-11-14-9-5-4-8-13(14)10-15(16)24(59)57-31(66)30(65)47-17(12-6-2-1-3-7-12)25(60)49-21(54-33(41)42)27(62)51-23(56-35(45)46)29(64)52-22(55-34(43)44)28(63)50-20(53-32(39)40)26(61)48-18(37)19(38)58/h1-11,17-18,20-23,31,66H,36-37H2,(H2,38,58)(H,47,65)(H,48,61)(H,49,60)(H,50,63)(H,51,62)(H,52,64)(H,57,59)(H4,39,40,53)(H4,41,42,54)(H4,43,44,55)(H4,45,46,56).
What are the key properties of 3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide?
3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide has a molecular weight of 920.91 g/mol, XLogP of -9.92, 20 rotatable bonds, 19 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 59385850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).